Wurtzite crystal structure

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Wurtzite unit cell as described by symmetry operators of the space group. Wurtzite cellGIF.gif
Wurtzite unit cell as described by symmetry operators of the space group.
General hexagonal crystal structure Hexagonal latticeFRONT.svg
General hexagonal crystal structure

The wurtzite crystal structure, named after the mineral wurtzite, is a crystal structure for various binary compounds. It is an example of a hexagonal crystal system. The chemical prototype is conventionally given as ZnS. [2]

Structure

Another representation of the wurtzite unit cell Wurtzite-unit-cell-3D-balls.png
Another representation of the wurtzite unit cell
Another representation of the wurtzite structure Wurtzite polyhedra.png
Another representation of the wurtzite structure

The wurtzite crystal structure is referred to by the Strukturbericht designation B4 and the Pearson symbol hP4. The corresponding space group is No. 186 (in International Union of Crystallography classification) or P63mc (in Hermann–Mauguin notation). The Hermann-Mauguin symbols in P63mc can be read as follows: [3]

Among the compounds that can take the wurtzite structure are wurtzite itself (ZnS with up to 8% iron instead of zinc), silver iodide (AgI), zinc oxide (ZnO), cadmium sulfide (CdS), cadmium selenide (CdSe), silicon carbide (α-SiC), gallium nitride (GaN), aluminium nitride (AlN), boron nitride (w-BN) and other semiconductors. [4] In most of these compounds, wurtzite is not the favored form of the bulk crystal, but the structure can be favored in some nanocrystal forms of the material.

In materials with more than one crystal structure, the prefix "w-" is sometimes added to the empirical formula to denote the wurtzite crystal structure, as in w-BN.

Each of the two individual atom types forms a sublattice which is hexagonal close-packed (HCP-type). When viewed all together, the atomic positions are the same as in lonsdaleite (hexagonal diamond). Each atom is tetrahedrally coordinated.

The wurtzite structure is non-centrosymmetric (i.e., lacks inversion symmetry). Due to this, wurtzite crystals can (and generally do) have properties such as piezoelectricity and pyroelectricity, which centrosymmetric crystals lack.[ citation needed ]

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Boron nitride Refractory compound with formula BN

Boron nitride is a thermally and chemically resistant refractory compound of boron and nitrogen with the chemical formula BN. It exists in various crystalline forms that are isoelectronic to a similarly structured carbon lattice. The hexagonal form corresponding to graphite is the most stable and soft among BN polymorphs, and is therefore used as a lubricant and an additive to cosmetic products. The cubic variety analogous to diamond is called c-BN; it is softer than diamond, but its thermal and chemical stability is superior. The rare wurtzite BN modification is similar to lonsdaleite but slightly softer than the cubic form.

Crystallography Scientific study of crystal structure

Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. The word "crystallography" is derived from the Greek words crystallon "cold drop, frozen drop", with its meaning extending to all solids with some degree of transparency, and graphein "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography.

Crystal structure Ordered arrangement of atoms, ions, or molecules in a crystalline material

In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter.

Sphalerite Zinc-iron sulfide mineral

Sphalerite is a sulfide mineral with the chemical formula (Zn,Fe)S. It is the most important ore of zinc. Sphalerite is found in a variety of deposit types, but it is primarily in sedimentary exhalative, Mississippi-Valley type, and volcanogenic massive sulfide deposits. It is found in association with galena, chalcopyrite, pyrite, calcite, dolomite, quartz, rhodochrosite, and fluorite.

Epitaxy Crystal growth process relative to the substrate

Epitaxy refers to a type of crystal growth or material deposition in which new crystalline layers are formed with one or more well-defined orientations with respect to the crystalline seed layer. The deposited crystalline film is called an epitaxial film or epitaxial layer. The relative orientation(s) of the epitaxial layer to the seed layer is defined in terms of the orientation of the crystal lattice of each material. For most epitaxial growths, the new layer is usually crystalline and each crystallographic domain of the overlayer must have a well-defined orientation relative to the substrate crystal structure. Epitaxy can involve single-crystal structures, although grain-to-grain epitaxy has been observed in granular films. For most technological applications, single domain epitaxy, which is the growth of an overlayer crystal with one well-defined orientation with respect to the substrate crystal, is preferred. Epitaxy can also play an important role while growing superlattice structures.

Crystal system Classification of crystalline materials by their three-dimensional structural geometry

In crystallography, a crystal system is a set of point groups. 32 point groups exist in three dimensions.Their corresponding space groups are assigned to a lattice system. The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic. Informally, two crystals are in the same crystal system if they have similar symmetries.

Space group Symmetry group of a configuration in space

In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group are the rigid transformations of an object that leave it unchanged. In three dimensions, space groups are classified into 219 distinct types, or 230 types if chiral copies are considered distinct. Space groups are discrete cocompact groups of isometries of an oriented Euclidean space in any number of dimensions. In dimensions other than 3, they are sometimes called Bieberbach groups.

In crystallography, a crystallographic point group is a set of symmetry operations, corresponding to one of the point groups in three dimensions, such that each operation would leave the structure of a crystal unchanged i.e. the same kinds of atoms would be placed in similar positions as before the transformation. For example, in many crystals in the cubic crystal system, a rotation of the unit cell by 90 degree around an axis that is perpendicular to one of the faces of the cube is a symmetry operation that moves each atom to the location of another atom of the same kind, leaving the overall structure of the crystal unaffected.

Cubic crystal system Crystallographic system where the unit cell is in the shape of a cube

In crystallography, the cubiccrystal system is a crystal system where the unit cell is in the shape of a cube. This is one of the most common and simplest shapes found in crystals and minerals.

Wurtzite

Wurtzite is a zinc and iron sulfide mineral with the chemical formula (Zn,Fe)S, a less frequently encountered structural polymorph form of sphalerite. The iron content is variable up to eight percent. It is trimorphous with matraite and sphalerite.

In chemistry, a nitride is a compound of nitrogen where nitrogen has a formal oxidation state of −3. Nitrides are a large class of compounds with a wide range of properties and applications.

Chalcogenide

A chalcogenide is a chemical compound consisting of at least one chalcogen anion and at least one more electropositive element. Although all group 16 elements of the periodic table are defined as chalcogens, the term chalcogenide is more commonly reserved for sulfides, selenides, tellurides, and polonides, rather than oxides. Many metal ores exist as chalcogenides. Photoconductive chalcogenide glasses are used in xerography. Some pigments and catalysts are also based on chalcogenides. The metal dichalcogenide MoS2 is a common solid lubricant.

Zinc telluride Chemical compound

Zinc telluride is a binary chemical compound with the formula ZnTe. This solid is a semiconductor material with a direct band gap of 2.26 eV. It is usually a p-type semiconductor. Its crystal structure is cubic, like that for sphalerite and diamond.

In geometry, Hermann–Mauguin notation is used to represent the symmetry elements in point groups, plane groups and space groups. It is named after the German crystallographer Carl Hermann and the French mineralogist Charles-Victor Mauguin. This notation is sometimes called international notation, because it was adopted as standard by the International Tables For Crystallography since their first edition in 1935.

Complex metallic alloys (CMAs) or complex intermetallics (CIMs) are intermetallic compounds characterized by the following structural features:

  1. large unit cells, comprising some tens up to thousands of atoms,
  2. the presence of well-defined atom clusters, frequently of icosahedral point group symmetry,
  3. the occurrence of inherent disorder in the ideal structure.

Zinc arsenide (Zn3As2) is a binary compound of zinc with arsenic which forms gray tetragonal crystals. It is an inorganic semiconductor with a band gap of 1.0 eV.

Compounds of zinc are chemical compounds containing the element zinc which is a member of the group 12 of the periodic table. The oxidation state of most compounds is the group oxidation state of +2. Zinc may be classified as a post-transition main group element with zinc(II). Zinc compounds are noteworthy for their nondescript behavior, they are generally colorless, do not readily engage in redox reactions, and generally adopt symmetrical structures.

Many compound materials exhibit polymorphism, that is they can exist in different structures called polymorphs. Silicon carbide (SiC) is unique in this regard as more than 250 polymorphs of silicon carbide had been identified by 2006, with some of them having a lattice constant as long as 301.5 nm, about one thousand times the usual SiC lattice spacings.

Hexagonal crystal family Union of crystal groups with related structures and lattices

In crystallography, the hexagonal crystal family is one of the six crystal families, which includes two crystal systems and two lattice systems. While commonly confused, the trigonal crystal system and the rhombohedral lattice system are not equivalent. In particular, there are crystals with trigonal symmetry but belong to the hexagonal lattice.

In crystallography, a Strukturbericht designation or Strukturbericht type is a system of detailed crystal structure classification by analogy to another known structure. The designations are intended to be a comprehensive designation for crystal structures, but is mainly used as supplement to space group designations, especially historically. Each Strukturbericht designation is described by a single space group, but the designation includes additional information about the positions of the individual atoms, rather than just the symmetry of the crystal structure. While Strukturbericht symbols exist for many of the earliest observed and most common crystal structures, the system is not comprehensive, and is no longer being updated. Modern databases such as Inorganic Crystal Structure Database index thousands of structure types directly by the prototype compound. These are essentially equivalent to the old Stukturbericht designations.

References

  1. De Graef, Marc; McHenry, Michael E. (2012). Structure of Materials; An introduction to Crystallography, Diffraction and Symmetry (PDF). Cambridge University Press. p. 16.
  2. Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN   978-0-08-037941-8.
  3. Hitchcock, Peter B (1988). International tables for crystallography volume A.
  4. Togo, Atsushi; Chaput, Laurent; Tanaka, Isao (2015-03-20). "Distributions of phonon lifetimes in Brillouin zones". Physical Review B. 91 (9): 094306. arXiv: 1501.00691 . doi:10.1103/PhysRevB.91.094306.